Version of EPW used in Nano Letters, 20, 8861 (2020)

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Vahid
Posts: 93
Joined: Fri Apr 08, 2016 11:02 pm
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Version of EPW used in Nano Letters, 20, 8861 (2020)

Post by Vahid »

Dear EPW community,

The above paper by Dr. Poncé and Prof. Giustino in Nano Letters, 2020, uses a pre release version of EPW. Has this version been released? They use only one k/q point along the vacuum. Could their results be obtained by the latest version of EPW?

Any clarification on this question is greatly appreciated.

Vahid

Vahid Askarpour
Department of physics and atmospheric science
Dalhousie University
Halifax, NS
CANADA

sponce
Site Admin
Posts: 601
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Version of EPW used in Nano Letters, 20, 8861 (2020)

Post by sponce »

Dear Vahid,

The version has been released in QE 6.8 and include Hall factor.

Note that 2D with only 1 k/q point along the vacuum is possible in this case because it is graphene (a non polar material) and therefore no specific 2D electrostatic is needed for the Frohlich part.
For 2D polar materials, you can use the (not officially supported) system_2d input variable.

We hope to support 2D polar material for the next release.

Best wishes,
Samuel.
Dr. Samuel Poncé
Institute of Materials
École Polytechnique Fédérale de Lausanne (EPFL)
Switzerland
Web: https://www.samuelponce.com

Vahid
Posts: 93
Joined: Fri Apr 08, 2016 11:02 pm
Affiliation:

Re: Version of EPW used in Nano Letters, 20, 8861 (2020)

Post by Vahid »

Dear Samuel,

Thank you for this clarification.

Best wishes,
Vahid

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